CID 71305717

1373029-39-0

Structural Information

Molecular Formula
C12H19NO4S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C(CCS2)C(=O)O
InChI
InChI=1S/C12H19NO4S/c1-11(2,3)17-10(16)13-6-12(7-13)8(9(14)15)4-5-18-12/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
DUYKPSAHFAIBRQ-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-2-azaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1035 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.110776 161.0
[M+Na]+ 296.092718 164.1
[M-H]- 272.096224 163.2
[M+NH4]+ 291.137323 172.9
[M+K]+ 312.066658 166.1
[M+H-H2O]+ 256.100760 151.3
[M+HCOO]- 318.101701 170.1
[M+CH3COO]- 332.117351 193.7
[M+Na-2H]- 294.078166 159.9
[M]+ 273.10295142 170.2
[M]- 273.10404858 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.